SCHEMBL21707465

SCHEMBL21707465

NC[C@@H]1CC[C@@H]2C[C@H](CC(=O)O)[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A12 P48065 3/20 0.44
▸ SLC6A11 P48066 3/20 0.44
▸ SLC6A13 Q9NSD5 3/20 0.44
▸ GABRR1 P24046 4/20 0.38
▸ GABRR2 P28476 1/20 0.38
▸ HSD11B1 P28845 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21707441 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL24631168 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL23369826 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL19032979 0.76 SLC6A12 (0.52) SLC6A12SLC6A11SLC6A13GABRR1GABRR2
SCHEMBL1401472 0.76 SLC6A12 (0.59) SLC6A12SLC6A11SLC6A13GABRR1HSD11B1
SCHEMBL7269130 0.71 MEN1 (0.54) SLC6A12SLC6A11SLC6A13HSD11B1MEN1
SCHEMBL20573120 0.71 MEN1 (0.54) SLC6A12SLC6A11SLC6A13HSD11B1MEN1
SCHEMBL3915502 0.71 MEN1 (0.54) SLC6A12SLC6A11SLC6A13HSD11B1MEN1
SCHEMBL20573107 0.71 MEN1 (0.54) SLC6A12SLC6A11SLC6A13HSD11B1MEN1
SCHEMBL5449679 0.71 MEN1 (0.54) SLC6A12SLC6A11SLC6A13HSD11B1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020029762-A1 PREPARATION METHOD FOR FUSED TRICYCLIC γ-AMINO ACID DERIVATIVE AND INTERMEDIATE THEREOF 四川海思科制药有限公司 2020-02-13 — — WO disclosed
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